2-Benzyl-3-(4-hydroxy-2-oxo-2H-chromen-3-yl)-propionic acid | 473876-47-0

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮
• 英文名称: 2-Benzyl-3-(4-hydroxy-2-oxo-2H-chromen-3-yl)-propionic acid
• 英文别名: 2-benzyl-3-(4-hydroxy-2-oxochromen-3-yl)propanoic acid
• CAS: 473876-47-0
• 化学式: C₁₉H₁₆O₅
• 分子量: 324.333
• InChiKey: ZYYAELJZGSPIJM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 重原子数：
  24
• 可旋转键数：
  5
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.16
• 拓扑面积：
  83.8
• 氢给体数：
  2
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  2-Benzyl-3-(4-hydroxy-2-oxo-2H-chromen-3-yl)-propionic acid ethyl ester 在 sodium hydroxide 作用下， 以 乙醇 为溶剂， 生成 2-Benzyl-3-(4-hydroxy-2-oxo-2H-chromen-3-yl)-propionic acid
  参考文献：
  名称：

  Materials and methods for treating coagulation disorders

  摘要：

  本发明涉及一种更容易被代谢药物解毒系统代谢的化合物。特别是，本发明涉及设计为在化合物结构中包含酯的华法林类似物。本发明教导了通过在药物合成过程中引入酯基团来降低药物毒性的方法。本发明还涉及治疗凝血障碍的方法，包括给予已设计为能够被血清或细胞内的水解酶和酯酶代谢的化合物。还教导了含有酯的华法林类似物的药物组合物。

  公开号：

  US20030199573A1

文献信息

• Materials and Methods for Treating Coagulation Disorders
  申请人：Druzgala Pascal

  公开号：US20080221204A1

  公开（公告）日：2008-09-11

  This invention is drawn to compounds which are more easily metabolized by the metabolic drug detoxification systems. Particularly, warfarin analogs which have been designed to include esters within the structure of the compounds are taught. The invention teaches methods of reducing the toxicity of drugs comprising the introduction of ester groups into drugs during the synthesis of the drug. This invention is also drawn to methods of treating coagulation disorders comprising the administration of compounds which have been designed to be metabolized by serum or intracellular hydrolases and esterases. Pharmaceutical compositions of the ester containing warfarin, analogs are also taught.

  本发明涉及化合物，这些化合物更容易被代谢药物解毒系统代谢。特别地，本发明涉及华法林类似物，其已被设计为在化合物的结构中包含酯基。本发明教导了在药物合成过程中引入酯基来减少药物毒性的方法。本发明还涉及治疗凝血障碍的方法，包括给予被设计为被血清或细胞内酯酶代谢的化合物。本发明还教导了含有酯基华法林类似物的药物组成物。
• Materials And Methods For Treating Coagulation Disorders
  申请人：Druzgala Pascal

  公开号：US20070129429A1

  公开（公告）日：2007-06-07

  This invention is drawn to compounds which are more easily metabolized by the metabolic drug detoxification systems. Particularly, warfarin analogs which have been designed to include esters within the structure of the compounds are taught. The invention teaches methods of reducing the toxicity of drugs comprising the introduction of ester groups into drugs during the synthesis of the drug. This invention is also drawn to methods of treating coagulation disorders comprising the administration of compounds which have been designed to be metabolized by serum or intracellular hydrolases and esterases. Pharmaceutical compositions of the ester containing warfarin, analogs are also taught.

  本发明涉及一种化合物，该化合物更易于被代谢药物解毒系统代谢。特别是，本发明教授了设计在化合物结构中包含酯基的华法林类似物。本发明教授了一种通过在药物合成过程中引入酯基来减少药物毒性的方法。本发明还涉及一种治疗凝血障碍的方法，该方法包括给予已经设计成可以被血清或细胞内水解酶和酯酶代谢的化合物。本发明还涉及含有酯基华法林类似物的制药组合物。
• Materials and methods for treating coagulation disorders
  申请人：ARYx Therapeutics

  公开号：EP2161261A1

  公开（公告）日：2010-03-10

  A compound according to Formula VI, or a pharmaceutically acceptable salt thereof, for the treatment of coagulation disorders, wherein, R is C1-C8 alkyl substituted with at least one halogen; R is C2-C8 alkyl substituted with at least one halogen; R is C3-C7 alkyl substituted with at least one halogen; R is C3-C6 alkyl substituted with at least one halogen.

  用于治疗凝血障碍的符合式 VI 的化合物或其药学上可接受的盐、 其中 R 是被至少一种卤素取代的 C1-C8 烷基； R 是被至少一种卤素取代的 C2-C8 烷基 R 是被至少一种卤素取代的 C3-C7 烷基 R 是被至少一种卤素取代的 C3-C6 烷基。
• COUMARIN DERIVATIVES TO BE USED AS ANTICOAGULANTS
  申请人：Arxy Therapeutics

  公开号：EP1383756A1

  公开（公告）日：2004-01-28
• MATERIALS AND METHODS FOR TREATING COAGULATION DISORDERS
  申请人：Aryx Therapeutics

  公开号：EP1735296B1

  公开（公告）日：2009-12-09